2-[[2-(furan-2-ylcarbonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[2-(furan-2-ylcarbonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[2-(furan-2-carbonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[2-[2-furanyl(oxo)methyl]-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[2-(furan-2-carbonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[2-(2-furoyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C21H15N5O5S MolecularWeight: 449.4393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C21H15N5O5S/c27-18(22-15-8-4-9-16(12-15)26(29)30)13-32-21-23-19(14-6-2-1-3-7-14)24-25(21)20(28)17-10-5-11-31-17/h1-12H,13H2,(H,22,27)